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Stereochemical effects in electron impact mass spectra of cis‐trans isomeric 1,2,4,5‐tetramethylcyclohexanes
Author(s) -
Herzschuh R.,
Mann G.,
Werner H.,
Mende Elke
Publication year - 1981
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210160808
Subject(s) - chemistry , electron ionization , enthalpy , fragmentation (computing) , ion , mass spectrum , cis–trans isomerism , mass spectrometry , stereochemistry , spectral line , analytical chemistry (journal) , medicinal chemistry , ionization , physics , organic chemistry , chromatography , quantum mechanics , astronomy , computer science , operating system
The mass spectrometric fragmentation of the five cis‐trans isomeric 1,2,4,5‐tetramethylcyclohexanes is influenced by their configuration. The thermochemically stable isomers show a higher abundance of the [MCH 3 ] + ions and a lower abundance of the [MC 2 H 5 ] + ions than the strained isomers. The [MCH 3 ] + /[MC 2 H 5 ] + intensity ratio correlates with the enthalpy difference Δ H isom and with the mean number of gauche arrangements Z g I of the stereoisomers.